| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:01:54 UTC |
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| Update Date | 2025-03-24 21:26:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01781704 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | C=C(O)c1ccc(C#N)cc1 |
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| InChI Key | LTHNLMCMQNSCGC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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